2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine

C31H34N2O — CID 25192049

IUPAC2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(C)c1cccc2ccccc12
InChIInChI=1S/C31H34N2O/c1-5-21-13-9-14-22(6-2)30(21)26-20-29(34-4)31-25(32-26)17-11-19-28(31)33(3)27-18-10-15-23-12-7-8-16-24(23)27/h7-10,12-16,18,20,28H,5-6,11,17,19H2,1-4H3
InChIKeyYQSFGYDYDOBCBI-UHFFFAOYSA-N
MW450.63 g/mol
LogP7.55
Rot. Bonds6

About 2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine

2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine (PubChem CID 25192049) has the molecular formula C31H34N2O and a molecular weight of 450.63 g/mol. Its IUPAC name is 2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine.

Molecular Properties

Compound Name2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
PubChem CID25192049
Molecular FormulaC31H34N2O
Molecular Weight450.63 g/mol
Exact Mass450.27
IUPAC Name2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine
SMILESCCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(C)c1cccc2ccccc12
InChIInChI=1S/C31H34N2O/c1-5-21-13-9-14-22(6-2)30(21)26-20-29(34-4)31-25(32-26)17-11-19-28(31)33(3)27-18-10-15-23-12-7-8-16-24(23)27/h7-10,12-16,18,20,28H,5-6,11,17,19H2,1-4H3
InChIKeyYQSFGYDYDOBCBI-UHFFFAOYSA-N
XLogP7.55
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.63
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
The IUPAC name of 2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine (CID 25192049) is 2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine.
What is the SMILES notation for 2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
The canonical SMILES for 2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine is CCc1cccc(CC)c1-c1cc(OC)c2c(n1)CCCC2N(C)c1cccc2ccccc12.
What is the InChIKey of 2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
The InChIKey is YQSFGYDYDOBCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2O/c1-5-21-13-9-14-22(6-2)30(21)26-20-29(34-4)31-25(32-26)17-11-19-28(31)33(3)27-18-10-15-23-12-7-8-16-24(23)27/h7-10,12-16,18,20,28H,5-6,11,17,19H2,1-4H3.
What are the key properties of 2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine?
2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine has a molecular weight of 450.63 g/mol, XLogP of 7.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diethylphenyl)-4-methoxy-N-methyl-N-naphthalen-1-yl-5,6,7,8-tetrahydroquinolin-5-amine is sourced from PubChem (CID 25192049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).